[3-(carbamimidoylsulfanylmethyl)-2,4,6-trimethyl-5-oxidanyl-phenyl]methyl carbamimidothioate

Systemtic Name: [3-(carbamimidoylsulfanylmethyl)-2,4,6-trimethyl-5-oxidanyl-phenyl]methyl carbamimidothioate Openeye Name: 2-[[3-(carbamimidoylsulfanylmethyl)-5-hydroxy-2,4,6-trimethyl-phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [3-[(carbamimidoylthio)methyl]-5-hydroxy-2,4,6-trimethylphenyl]methyl ester IUPAC Name: [3-(carbamimidoylsulfanylmethyl)-5-hydroxy-2,4,6-trimethylphenyl]methyl carbamimidothioate Traditional Name: 2-[3-[(amidinothio)methyl]-5-hydroxy-2,4,6-trimethyl-benzyl]isothiourea Formula: C13H20N4OS2 MolecularWeight: 312.4541

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1CSC(=N)N)C)O)C)CSC(=N)N

Isomeric SMILES

CC1=C(C(=C(C(=C1CSC(=N)N)C)O)C)CSC(=N)N

InChI

InChI=1S/C13H20N4OS2/c1-6-9(4-19-12(14)15)7(2)11(18)8(3)10(6)5-20-13(16)17/h18H,4-5H2,1-3H3,(H3,14,15)(H3,16,17)